6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine

C13H11BrClN3S — CID 79301975

IUPAC6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cc(Br)cnc2n1CCc1ccsc1
InChIInChI=1S/C13H11BrClN3S/c14-10-5-11-13(16-7-10)18(12(6-15)17-11)3-1-9-2-4-19-8-9/h2,4-5,7-8H,1,3,6H2
InChIKeyLGEMWSOLKLIXCL-UHFFFAOYSA-N
MW356.68 g/mol
LogP4.24
Rot. Bonds4

About 6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine

6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine (PubChem CID 79301975) has the molecular formula C13H11BrClN3S and a molecular weight of 356.68 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
PubChem CID79301975
Molecular FormulaC13H11BrClN3S
Molecular Weight356.68 g/mol
Exact Mass354.95
IUPAC Name6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cc(Br)cnc2n1CCc1ccsc1
InChIInChI=1S/C13H11BrClN3S/c14-10-5-11-13(16-7-10)18(12(6-15)17-11)3-1-9-2-4-19-8-9/h2,4-5,7-8H,1,3,6H2
InChIKeyLGEMWSOLKLIXCL-UHFFFAOYSA-N
XLogP4.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.68
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
CID 79294299
2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole
CID 61477875
5-[2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420373
2-(chloromethyl)-5-methoxy-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
CID 115322838
6-bromo-2-(chloromethyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 79302090
4-[2-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole
CID 79302623
2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine
CID 79302167
6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine
CID 113327887
2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylethanamine
CID 79302121
6-bromo-2-(chloromethyl)-3-(3-propoxypropyl)imidazo[4,5-b]pyridine
CID 82944313
6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
CID 103008938
6-bromo-2-(chloromethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 80585928

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine (CID 79301975) is 6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine is ClCc1nc2cc(Br)cnc2n1CCc1ccsc1.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine?
The InChIKey is LGEMWSOLKLIXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3S/c14-10-5-11-13(16-7-10)18(12(6-15)17-11)3-1-9-2-4-19-8-9/h2,4-5,7-8H,1,3,6H2.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine has a molecular weight of 356.68 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79301975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).